SCHEMBL1549947

SCHEMBL1549947

CC(C)C1CCC(C(=O)c2ccccc2C[C@@H](N)C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
NOS3 P29474 3/20 0.44
NOS1 P29475 3/20 0.44
NOS2 P35228 3/20 0.44
CNR2 P34972 1/20 0.43
PKM P14618 2/20 0.41
ALPI P09923 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 2/20 0.41
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9749002 0.77 LMNA (0.46) LMNATDP1CNR2MEN1KMT2A
SCHEMBL4551989 0.76 NOS3 (0.60) LMNATDP1NOS3NOS1NOS2
SCHEMBL4792772 0.76 NOS3 (0.60) LMNATDP1NOS3NOS1NOS2
SCHEMBL1549942 0.76 SLC7A5 (0.55) LMNATDP1NOS3NOS1NOS2
SCHEMBL1502390 0.74 ABL1 (0.38) LMNATDP1CNR2TSHRPOLB
SCHEMBL1527682 0.73 PKM (0.58) LMNATDP1NOS3NOS1NOS2
SCHEMBL31370153 0.73 PKM (0.58) LMNATDP1NOS3NOS1NOS2
SCHEMBL1527683 0.73 PKM (0.58) LMNATDP1NOS3NOS1NOS2
SCHEMBL29475631 0.73 PKM (0.58) LMNATDP1NOS3NOS1NOS2
SCHEMBL30440587 0.72 NOS3 (0.59) LMNATDP1NOS3NOS1NOS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313395-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2011-04-27 EP disclosed